[4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-yl]-4-deoxy-4-fluoro-β-D-glucopyranoside | 702638-25-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-yl]-4-deoxy-4-fluoro-β-D-glucopyranoside
• 英文别名: 4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-yl-4-deoxy-4-fluoro-beta-D-glucopyranoside；(2S,3R,4R,5S,6R)-5-fluoro-6-hydroxymethyl-2-[4-(4-methoxy-benzyl)-5-trifluoromethyl-1H-pyrazol-3-yloxy]-tetrahydro-pyran-3,4-diol；(2S,3R,4R,5S,6R)-5-Fluoro-6-(hydroxymethyl)-2-((4-((4-methoxyphenyl)methyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)tetrahydropyran-3,4-diol；(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-[[4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]oxane-3,4-diol
• CAS: 702638-25-3
• 化学式: C₁₈H₂₀F₄N₂O₆
• 分子量: 436.36
• InChiKey: IBAUCRODUSTJQW-MPZWGZMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-benzyl-4-[(4-methoxybenzyl)]-5-trifluoromethyl-pyrazol-3-yl-2,3,6-tri-O-benzoyl-4-deoxy-4-fluoro-β-D-glucopyranoside 在 氨 、 sodium 、 水 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 [4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-yl]-4-deoxy-4-fluoro-β-D-glucopyranoside
  参考文献：
  名称：

  [EN] INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES
  [FR] INTERMÉDIAIRES ET PROCÉDÉS POUR LA PRÉPARATION DE DÉRIVÉS DE FLUOROGLYCOSIDE

  摘要：

  本发明提供了一种生产(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物的工艺，具有较高的纯度和相对较高的产率，适用于工业规模生产。本发明还涉及合成中间体，可用于制备(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物。

  公开号：

  WO2010077623A1

文献信息

• [EN] A NOVEL CRYSTALLINE HETEROAROMATIC FLUOROGLYCOSIDE HYDRATE, PROCESSES FOR MAKING, METHODS OF USE AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] NOUVEL HYDRATE DE FLUOROGLYCOSIDE HÉTÉROAROMATIQUE CRISTALLISÉ, SES PROCÉDÉS DE FABRICATION, SES MÉTHODES D'UTILISATION ET SES COMPOSITIONS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2010066690A1

  公开（公告）日：2010-06-17

  The invention relates to a crystalline hydrate of the formula (I) in which n has a value of from 0.9 to 1.1. The compound is suitable, for example, as an antidiabetic.
• [EN] A CRYSTALLINE HETEROAROMATIC FLUOROGLYCOSIDE HYDRATE, PROCESSES FOR MAKING, METHODS OF USE AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] HYDRATE DE FLUOROGLYCOSIDE HÉTÉROAROMATIQUE CRISTALLIN, SES PROCÉDÉS DE FABRICATION, SES PROCÉDÉS D'UTILISATION ET COMPOSITIONS PHARMACEUTIQUES LE CONTENANT
  申请人：SANOFI AVENTIS

  公开号：WO2010068601A1

  公开（公告）日：2010-06-17

  A novel crystalline heteroaromatic fluoroglycoside hydrate, processes for making, methods of use and pharmaceutical compositions thereof. The invention relates to a crystalline hydrate of the formula (I) in which n has a value of from 0.9 to 1.1. The compound is suitable, for example, as an antidiabetic.
• [EN] NOVEL POLYMORPHIC FORMS OF 4-[(4-METHOXYPHENYL)METHYL]-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-YL]4-DEOXY-4-FLUORO-BETA-D-GLUCOPYRANOSIDE INCLUDING HYDRATES THEREOF AND THE PREPARATIONS THEREOF<br/>[FR] NOUVELLES FORMES POLYMORPHES DU 4-[(4-MÉTHOXYPHÉNYL)MÉTHYL]-5-(TRIFLUOROMÉTHYL)-1H-PYRAZOLE-3-YL]-4-DÉSOXY-4-FLUORO-BÊTA-D-GLUCOPYRANOSIDE Y COMPRIS SES HYDRATES, ET LEURS PRÉPARATIONS
  申请人：SANOFI AVENTIS

  公开号：WO2010068605A1

  公开（公告）日：2010-06-17

  The present invention is directed to stable polymorphic forms of the compound of formula Il and hydrates thereof: i. e., a solvent free polymorph "C" of 4-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)- 1H-pyrazole-3-yl]-4-deoxy-4-fluoro-beta-D-glucopyranoside; a monohydrate form "D"; and a dihydrate form "B", each substantially free of residual organic solvent contaminants and impurities.